2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C14H18ClN3O2S — CID 103989092

IUPAC2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c15-13-10-12(11-16)4-5-14(13)21(19,20)17-6-9-18-7-2-1-3-8-18/h4-5,10,17H,1-3,6-9H2
InChIKeyUFGDKEKDPPVQQS-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.98
Rot. Bonds5

About 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide

2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 103989092) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID103989092
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c15-13-10-12(11-16)4-5-14(13)21(19,20)17-6-9-18-7-2-1-3-8-18/h4-5,10,17H,1-3,6-9H2
InChIKeyUFGDKEKDPPVQQS-UHFFFAOYSA-N
XLogP1.98
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 136521741
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 61061706
4-amino-2-cyano-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636597
2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 103989437
2-chloro-4-cyano-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 103989505
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 103989092) is 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is UFGDKEKDPPVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-13-10-12(11-16)4-5-14(13)21(19,20)17-6-9-18-7-2-1-3-8-18/h4-5,10,17H,1-3,6-9H2.
What are the key properties of 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103989092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).