N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide

C13H19N3O2S — CID 63228547

IUPACN-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C(C)CC#N)cc1
InChIInChI=1S/C13H19N3O2S/c1-4-15-12-5-7-13(8-6-12)19(17,18)16(3)11(2)9-10-14/h5-8,11,15H,4,9H2,1-3H3
InChIKeyXIHWXDIAILORHT-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.04
Rot. Bonds6

About N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide

N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide (PubChem CID 63228547) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide
PubChem CID63228547
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C(C)CC#N)cc1
InChIInChI=1S/C13H19N3O2S/c1-4-15-12-5-7-13(8-6-12)19(17,18)16(3)11(2)9-10-14/h5-8,11,15H,4,9H2,1-3H3
InChIKeyXIHWXDIAILORHT-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62158366
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-[(2R)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350960
N-[(2S)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350959
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 115611960
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
4-bromo-N-(1-cyanopropan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 71997631
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 55174736
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 63224866
3-amino-4-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 55174715
N-(1-cyanopropan-2-yl)-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 63228502
4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62147634

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide (CID 63228547) is N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)C(C)CC#N)cc1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide?
The InChIKey is XIHWXDIAILORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-15-12-5-7-13(8-6-12)19(17,18)16(3)11(2)9-10-14/h5-8,11,15H,4,9H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide?
N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63228547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).