N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide

C24H21N5O4S — CID 155530144

IUPACN-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C5CC5)c4)nc13)C(=O)N2C
InChIInChI=1S/C24H21N5O4S/c1-28-19-10-9-17(27-34(31,32)21-6-4-3-5-20(21)33-2)23-22(19)16(24(28)30)11-18(26-23)14-12-25-29(13-14)15-7-8-15/h3-6,9-13,15,27H,7-8H2,1-2H3
InChIKeyRSQPLQSGSLFKMJ-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.83
Rot. Bonds6

About N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide

N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide (PubChem CID 155530144) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
PubChem CID155530144
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC NameN-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C5CC5)c4)nc13)C(=O)N2C
InChIInChI=1S/C24H21N5O4S/c1-28-19-10-9-17(27-34(31,32)21-6-4-3-5-20(21)33-2)23-22(19)16(24(28)30)11-18(26-23)14-12-25-29(13-14)15-7-8-15/h3-6,9-13,15,27H,7-8H2,1-2H3
InChIKeyRSQPLQSGSLFKMJ-UHFFFAOYSA-N
XLogP3.83
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide with MolForge

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Related Compounds

2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
CID 145829181
2-methoxy-N-(1-methyl-4-(4-methyl-1H-imidazol-1-yl)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinolin-6-yl)benzenesulfonamide
CID 145925666
2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide
CID 155513363
N-[6-(cyclopropylamino)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
CID 155554809
N-[6-(tert-butylamino)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
CID 155556217
N-(6-chloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)-2-methoxybenzenesulfonamide
CID 155514491
2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155518530
2-methoxy-N-[2-methyl-6-(1-methylpyrazol-4-yl)-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
CID 155519805
N-[6-(furan-3-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
CID 155520501
N-[4-(1-benzylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155523212
2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide
CID 155524426
N-(6-imidazol-1-yl-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)-2-methoxybenzenesulfonamide
CID 155564141

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide (CID 155530144) is N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C5CC5)c4)nc13)C(=O)N2C.
What is the InChIKey of N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
The InChIKey is RSQPLQSGSLFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c1-28-19-10-9-17(27-34(31,32)21-6-4-3-5-20(21)33-2)23-22(19)16(24(28)30)11-18(26-23)14-12-25-29(13-14)15-7-8-15/h3-6,9-13,15,27H,7-8H2,1-2H3.
What are the key properties of N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide has a molecular weight of 475.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 155530144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).