N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide

C14H10ClF2N5O2S — CID 155193473

IUPACN-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1C(F)F
InChIInChI=1S/C14H10ClF2N5O2S/c1-22-13(14(16)17)10(6-20-22)25(23,24)21-9-3-2-8(15)11-7(4-18)5-19-12(9)11/h2-3,5-6,14,19,21H,1H3
InChIKeySFPGIOBDNVXAMZ-UHFFFAOYSA-N
MW385.78 g/mol
LogP3.16
Rot. Bonds4

About N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide

N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 155193473) has the molecular formula C14H10ClF2N5O2S and a molecular weight of 385.78 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID155193473
Molecular FormulaC14H10ClF2N5O2S
Molecular Weight385.78 g/mol
Exact Mass385.02
IUPAC NameN-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1C(F)F
InChIInChI=1S/C14H10ClF2N5O2S/c1-22-13(14(16)17)10(6-20-22)25(23,24)21-9-3-2-8(15)11-7(4-18)5-19-12(9)11/h2-3,5-6,14,19,21H,1H3
InChIKeySFPGIOBDNVXAMZ-UHFFFAOYSA-N
XLogP3.16
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193606
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 177228426
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193428
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide (CID 155193473) is N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide is Cn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1C(F)F.
What is the InChIKey of N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is SFPGIOBDNVXAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O2S/c1-22-13(14(16)17)10(6-20-22)25(23,24)21-9-3-2-8(15)11-7(4-18)5-19-12(9)11/h2-3,5-6,14,19,21H,1H3.
What are the key properties of N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide?
N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 385.78 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 155193473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).