N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide

C15H14ClN5O3S — CID 155193640

IUPACN-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
SMILESC[C@@H](O)Cn1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H14ClN5O3S/c1-9(22)7-21-8-11(6-19-21)25(23,24)20-13-3-2-12(16)14-10(4-17)5-18-15(13)14/h2-3,5-6,8-9,18,20,22H,7H2,1H3/t9-/m1/s1
InChIKeyZAPDIVZWAIJZLJ-SECBINFHSA-N
MW379.83 g/mol
LogP2.07
Rot. Bonds5

About N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide

N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide (PubChem CID 155193640) has the molecular formula C15H14ClN5O3S and a molecular weight of 379.83 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
PubChem CID155193640
Molecular FormulaC15H14ClN5O3S
Molecular Weight379.83 g/mol
Exact Mass379.05
IUPAC NameN-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
SMILESC[C@@H](O)Cn1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H14ClN5O3S/c1-9(22)7-21-8-11(6-19-21)25(23,24)20-13-3-2-12(16)14-10(4-17)5-18-15(13)14/h2-3,5-6,8-9,18,20,22H,7H2,1H3/t9-/m1/s1
InChIKeyZAPDIVZWAIJZLJ-SECBINFHSA-N
XLogP2.07
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719
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-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155708755
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193428
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193606
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide
CID 155708771

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide (CID 155193640) is N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide is C[C@@H](O)Cn1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)cn1.
What is the InChIKey of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide?
The InChIKey is ZAPDIVZWAIJZLJ-SECBINFHSA-N. The full InChI is InChI=1S/C15H14ClN5O3S/c1-9(22)7-21-8-11(6-19-21)25(23,24)20-13-3-2-12(16)14-10(4-17)5-18-15(13)14/h2-3,5-6,8-9,18,20,22H,7H2,1H3/t9-/m1/s1.
What are the key properties of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide?
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide has a molecular weight of 379.83 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155193640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).