N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide

C18H16ClN5O2S — CID 155538254

IUPACN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C18H16ClN5O2S/c1-13(23-27(25,26)16-3-2-7-21-11-16)12-24-8-6-18(22-24)14-4-5-15(10-20)17(19)9-14/h2-9,11,13,23H,12H2,1H3/t13-/m0/s1
InChIKeyPINQMBJMTJXIQT-ZDUSSCGKSA-N
MW401.88 g/mol
LogP2.84
Rot. Bonds6

About N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide

N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide (PubChem CID 155538254) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide
PubChem CID155538254
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC NameN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C18H16ClN5O2S/c1-13(23-27(25,26)16-3-2-7-21-11-16)12-24-8-6-18(22-24)14-4-5-15(10-20)17(19)9-14/h2-9,11,13,23H,12H2,1H3/t13-/m0/s1
InChIKeyPINQMBJMTJXIQT-ZDUSSCGKSA-N
XLogP2.84
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide (CID 155538254) is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide is C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide?
The InChIKey is PINQMBJMTJXIQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c1-13(23-27(25,26)16-3-2-7-21-11-16)12-24-8-6-18(22-24)14-4-5-15(10-20)17(19)9-14/h2-9,11,13,23H,12H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide?
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide has a molecular weight of 401.88 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 155538254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).