1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide

C17H11ClF2N4O2S — CID 154653187

IUPAC1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H11ClF2N4O2S/c18-10-1-3-11(4-2-10)24-9-12(7-22-24)27(25,26)23-17-8-21-16-6-15(20)14(19)5-13(16)17/h1-9,21,23H
InChIKeyVQHCOWXGGRQKSN-UHFFFAOYSA-N
MW408.82 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide

1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide (PubChem CID 154653187) has the molecular formula C17H11ClF2N4O2S and a molecular weight of 408.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
PubChem CID154653187
Molecular FormulaC17H11ClF2N4O2S
Molecular Weight408.82 g/mol
Exact Mass408.03
IUPAC Name1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H11ClF2N4O2S/c18-10-1-3-11(4-2-10)24-9-12(7-22-24)27(25,26)23-17-8-21-16-6-15(20)14(19)5-13(16)17/h1-9,21,23H
InChIKeyVQHCOWXGGRQKSN-UHFFFAOYSA-N
XLogP4.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
CID 56944956
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 66800947
Cox-2-IN-1
CID 44451247
1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
1-(5-Chloro-3-methyl-pyrazol-1-ylmethanesulfonyl)-3-(1,2,5,6-tetrahydro-pyridin-3-yl)-1H-indole
CID 44403096
N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 164624305
N-[2-chloro-5-(1H-indazol-5-yl)-3-pyridinyl]benzenesulfonamide
CID 164625801
4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135434049
6-chloro-N-(1-(2-chloroethyl)-5-cyano-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176489959
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176710968
US9156811, Ddd73262
CID 117905353

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide (CID 154653187) is 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide is O=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is VQHCOWXGGRQKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O2S/c18-10-1-3-11(4-2-10)24-9-12(7-22-24)27(25,26)23-17-8-21-16-6-15(20)14(19)5-13(16)17/h1-9,21,23H.
What are the key properties of 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 408.82 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 154653187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).