4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide

C14H18N2O2S — CID 106833028

IUPAC4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCC2)ccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-11-8-14(7-6-13(11)9-15)19(17,18)16-10-12-4-2-3-5-12/h6-8,12,16H,2-5,10H2,1H3
InChIKeySGTBAPXEDVLTGU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.34
Rot. Bonds4

About 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide

4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide (PubChem CID 106833028) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
PubChem CID106833028
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCC2)ccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-11-8-14(7-6-13(11)9-15)19(17,18)16-10-12-4-2-3-5-12/h6-8,12,16H,2-5,10H2,1H3
InChIKeySGTBAPXEDVLTGU-UHFFFAOYSA-N
XLogP2.34
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106833161
4-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylbenzenesulfonamide
CID 106832968
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286
4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
4-cyano-N-[(1-hydroxycyclobutyl)methyl]-3-methylbenzenesulfonamide
CID 106833347
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide (CID 106833028) is 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CCCC2)ccc1C#N.
What is the InChIKey of 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide?
The InChIKey is SGTBAPXEDVLTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-8-14(7-6-13(11)9-15)19(17,18)16-10-12-4-2-3-5-12/h6-8,12,16H,2-5,10H2,1H3.
What are the key properties of 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide?
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106833028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).