4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide

C15H20N2O2S — CID 106833466

IUPAC4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(C(C)C)CC2)ccc1C#N
InChIInChI=1S/C15H20N2O2S/c1-11(2)15(6-7-15)10-17-20(18,19)14-5-4-13(9-16)12(3)8-14/h4-5,8,11,17H,6-7,10H2,1-3H3
InChIKeyPEJGFIUJWDDKMX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.58
Rot. Bonds5

About 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide

4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 106833466) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
PubChem CID106833466
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(C(C)C)CC2)ccc1C#N
InChIInChI=1S/C15H20N2O2S/c1-11(2)15(6-7-15)10-17-20(18,19)14-5-4-13(9-16)12(3)8-14/h4-5,8,11,17H,6-7,10H2,1-3H3
InChIKeyPEJGFIUJWDDKMX-UHFFFAOYSA-N
XLogP2.58
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1-hydroxycyclobutyl)methyl]-3-methylbenzenesulfonamide
CID 106833347
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 106269709
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide (CID 106833466) is 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC2(C(C)C)CC2)ccc1C#N.
What is the InChIKey of 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is PEJGFIUJWDDKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(2)15(6-7-15)10-17-20(18,19)14-5-4-13(9-16)12(3)8-14/h4-5,8,11,17H,6-7,10H2,1-3H3.
What are the key properties of 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106833466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).