N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide

C24H26FN5O6S2 — CID 172631227

IUPACN-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1cc2ncnc(-c3cc(F)c(OC)c(NS(=O)(=O)c4cnn(C)c4)c3)c2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C24H26FN5O6S2/c1-24(2,3)37(31,32)21-9-16-18(10-20(21)35-5)26-13-27-22(16)14-7-17(25)23(36-6)19(8-14)29-38(33,34)15-11-28-30(4)12-15/h7-13,29H,1-6H3
InChIKeyNVJMKGBMSOIRSU-UHFFFAOYSA-N
MW563.63 g/mol
LogP3.56
Rot. Bonds7

About N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide

N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 172631227) has the molecular formula C24H26FN5O6S2 and a molecular weight of 563.63 g/mol. Its IUPAC name is N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID172631227
Molecular FormulaC24H26FN5O6S2
Molecular Weight563.63 g/mol
Exact Mass563.13
IUPAC NameN-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1cc2ncnc(-c3cc(F)c(OC)c(NS(=O)(=O)c4cnn(C)c4)c3)c2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C24H26FN5O6S2/c1-24(2,3)37(31,32)21-9-16-18(10-20(21)35-5)26-13-27-22(16)14-7-17(25)23(36-6)19(8-14)29-38(33,34)15-11-28-30(4)12-15/h7-13,29H,1-6H3
InChIKeyNVJMKGBMSOIRSU-UHFFFAOYSA-N
XLogP3.56
TPSA142.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.63
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide with MolForge

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Related Compounds

N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 178093964
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
CID 178094096
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 47177541
4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 47257775
N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 172631337
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
CID 178094039
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
CID 178185134
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 112695660
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide (CID 172631227) is N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide is COc1cc2ncnc(-c3cc(F)c(OC)c(NS(=O)(=O)c4cnn(C)c4)c3)c2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is NVJMKGBMSOIRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O6S2/c1-24(2,3)37(31,32)21-9-16-18(10-20(21)35-5)26-13-27-22(16)14-7-17(25)23(36-6)19(8-14)29-38(33,34)15-11-28-30(4)12-15/h7-13,29H,1-6H3.
What are the key properties of N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 563.63 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 172631227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).