2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide

C14H17ClN2O2S — CID 104919307

IUPAC2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
SMILESCCCC1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O2S/c1-2-5-14(6-7-14)10-17-20(18,19)13-8-11(9-16)3-4-12(13)15/h3-4,8,17H,2,5-7,10H2,1H3
InChIKeyROIKJDZPXDGJDO-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.07
Rot. Bonds6

About 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide

2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 104919307) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
PubChem CID104919307
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
SMILESCCCC1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O2S/c1-2-5-14(6-7-14)10-17-20(18,19)13-8-11(9-16)3-4-12(13)15/h3-4,8,17H,2,5-7,10H2,1H3
InChIKeyROIKJDZPXDGJDO-UHFFFAOYSA-N
XLogP3.07
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617
N-[(1-aminocyclohexyl)methyl]-2-chloro-5-cyanobenzenesulfonamide
CID 80697074
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
2-chloro-5-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271407
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485512
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391
2-chloro-5-cyano-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonamide
CID 107389862
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide (CID 104919307) is 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide is CCCC1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is ROIKJDZPXDGJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-2-5-14(6-7-14)10-17-20(18,19)13-8-11(9-16)3-4-12(13)15/h3-4,8,17H,2,5-7,10H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 312.82 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 104919307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).