N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide

C13H19N3O2S — CID 62158366

IUPACN-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)CC(C)C#N)cc1
InChIInChI=1S/C13H19N3O2S/c1-4-15-12-5-7-13(8-6-12)19(17,18)16(3)10-11(2)9-14/h5-8,11,15H,4,10H2,1-3H3
InChIKeyKZCWSIXKQOTPEO-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds6

About N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide

N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide (PubChem CID 62158366) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
PubChem CID62158366
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)CC(C)C#N)cc1
InChIInChI=1S/C13H19N3O2S/c1-4-15-12-5-7-13(8-6-12)19(17,18)16(3)10-11(2)9-14/h5-8,11,15H,4,10H2,1-3H3
InChIKeyKZCWSIXKQOTPEO-UHFFFAOYSA-N
XLogP1.90
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 79185385
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 63228547
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62159264
N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 42961147
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62147634
2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
CID 61046101
3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653
3-amino-N-(2-cyanopropyl)-N,5-dimethylbenzenesulfonamide
CID 61138827
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide (CID 62158366) is N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)CC(C)C#N)cc1.
What is the InChIKey of N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide?
The InChIKey is KZCWSIXKQOTPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-15-12-5-7-13(8-6-12)19(17,18)16(3)10-11(2)9-14/h5-8,11,15H,4,10H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide?
N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62158366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).