4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide

C15H23N3O2S — CID 106833437

IUPAC4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H23N3O2S/c1-4-9-18(5-2)10-8-17-21(19,20)15-7-6-14(12-16)13(3)11-15/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyIHSJVHFPBVZMPX-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.88
Rot. Bonds8

About 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide

4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide (PubChem CID 106833437) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide
PubChem CID106833437
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H23N3O2S/c1-4-9-18(5-2)10-8-17-21(19,20)15-7-6-14(12-16)13(3)11-15/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyIHSJVHFPBVZMPX-UHFFFAOYSA-N
XLogP1.88
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[3-(diethylamino)propyl]-3-methylbenzenesulfonamide
CID 106832901
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 106833366
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
4-cyano-N-(2-hydroxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 106833352
4-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylbenzenesulfonamide
CID 106832968

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide (CID 106833437) is 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide is CCCN(CC)CCNS(=O)(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide?
The InChIKey is IHSJVHFPBVZMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-9-18(5-2)10-8-17-21(19,20)15-7-6-14(12-16)13(3)11-15/h6-7,11,17H,4-5,8-10H2,1-3H3.
What are the key properties of 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide?
4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 106833437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).