5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide

C18H17ClN4O4S — CID 146444116

IUPAC5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1ccnn1[C@@H](C)CO2
InChIInChI=1S/C18H17ClN4O4S/c1-11-10-27-18-14(15-5-6-21-23(11)15)8-13(9-20-18)22-28(24,25)17-7-12(19)3-4-16(17)26-2/h3-9,11,22H,10H2,1-2H3/t11-/m0/s1
InChIKeyLTLODSCWDLFJSH-NSHDSACASA-N
MW420.88 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide

5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide (PubChem CID 146444116) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide
PubChem CID146444116
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC Name5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1ccnn1[C@@H](C)CO2
InChIInChI=1S/C18H17ClN4O4S/c1-11-10-27-18-14(15-5-6-21-23(11)15)8-13(9-20-18)22-28(24,25)17-7-12(19)3-4-16(17)26-2/h3-9,11,22H,10H2,1-2H3/t11-/m0/s1
InChIKeyLTLODSCWDLFJSH-NSHDSACASA-N
XLogP3.36
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid
CID 142391141
N-[(3S)-5-(2-aminoethenyl)-3-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-yl]-5-chloro-2-methoxybenzenesulfonamide
CID 142390213
5-chloro-N-[(3S)-4-[(2,4-dimethoxyphenyl)methyl]-5-oxo-3-(phenylmethoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-yl]-2-methoxybenzenesulfonamide
CID 130238154
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-N-[4-[(2,4-dimethoxyphenyl)methyl]-5-oxospiro[2H-pyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]-7-yl]-2-methoxybenzenesulfonamide
CID 130238082
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 146444080
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide (CID 146444116) is 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1ccnn1[C@@H](C)CO2.
What is the InChIKey of 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide?
The InChIKey is LTLODSCWDLFJSH-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c1-11-10-27-18-14(15-5-6-21-23(11)15)8-13(9-20-18)22-28(24,25)17-7-12(19)3-4-16(17)26-2/h3-9,11,22H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide?
5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide has a molecular weight of 420.88 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide is sourced from PubChem (CID 146444116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).