N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide

C21H17ClN2O3S — CID 10093130

IUPACN-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C21H17ClN2O3S/c22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14/h1-5,8-14H,6-7H2,(H,23,24)
InChIKeyQIMOYMRZAYVIBK-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.64
Rot. Bonds6

About N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide

N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide (PubChem CID 10093130) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide
PubChem CID10093130
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC NameN-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C21H17ClN2O3S/c22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14/h1-5,8-14H,6-7H2,(H,23,24)
InChIKeyQIMOYMRZAYVIBK-UHFFFAOYSA-N
XLogP4.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 70834325
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
N-[6-chloro-5-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-cyclohexylbenzenesulfonamide
CID 19735410
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide?
The IUPAC name of N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide (CID 10093130) is N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide.
What is the SMILES notation for N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide?
The canonical SMILES for N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide is O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide?
The InChIKey is QIMOYMRZAYVIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14/h1-5,8-14H,6-7H2,(H,23,24).
What are the key properties of N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide?
N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide has a molecular weight of 412.90 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 10093130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).