N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide

C14H22N2O2S — CID 107328516

IUPACN-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1cc(C)c(S(=O)(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-4-7-15-13-8-10(2)14(11(3)9-13)19(17,18)16-12-5-6-12/h8-9,12,15-16H,4-7H2,1-3H3
InChIKeySPLAYSALUKRNFB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.57
Rot. Bonds6

About N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide

N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide (PubChem CID 107328516) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
PubChem CID107328516
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1cc(C)c(S(=O)(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-4-7-15-13-8-10(2)14(11(3)9-13)19(17,18)16-12-5-6-12/h8-9,12,15-16H,4-7H2,1-3H3
InChIKeySPLAYSALUKRNFB-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
CID 46192720
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
4-hydrazinyl-2,6-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 107327849
3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline
CID 107328597
N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
CID 107329148
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide (CID 107328516) is N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide is CCCNc1cc(C)c(S(=O)(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide?
The InChIKey is SPLAYSALUKRNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-7-15-13-8-10(2)14(11(3)9-13)19(17,18)16-12-5-6-12/h8-9,12,15-16H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide?
N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 107328516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).