N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide

C16H28N2O2S — CID 62152581

IUPACN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C16H28N2O2S/c1-6-11-17-15-9-7-8-10-16(15)21(19,20)18(5)14(4)12-13(2)3/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyNUZGDMUFGSJQOI-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.56
Rot. Bonds8

About N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide

N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide (PubChem CID 62152581) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
PubChem CID62152581
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C16H28N2O2S/c1-6-11-17-15-9-7-8-10-16(15)21(19,20)18(5)14(4)12-13(2)3/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyNUZGDMUFGSJQOI-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152933
N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide
CID 62144303
N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
CID 63726361
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
3-N-methyl-3-N-(4-methylpentan-2-yl)-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80788463

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide (CID 62152581) is N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)N(C)C(C)CC(C)C.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide?
The InChIKey is NUZGDMUFGSJQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-11-17-15-9-7-8-10-16(15)21(19,20)18(5)14(4)12-13(2)3/h7-10,13-14,17H,6,11-12H2,1-5H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide?
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62152581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).