4-(hexan-2-ylamino)-N-methylbenzenesulfonamide

C13H22N2O2S — CID 43790312

IUPAC4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
SMILESCCCCC(C)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-5-6-11(2)15-12-7-9-13(10-8-12)18(16,17)14-3/h7-11,14-15H,4-6H2,1-3H3
InChIKeyBHPLZYIWRQXIGZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.59
Rot. Bonds7

About 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide

4-(hexan-2-ylamino)-N-methylbenzenesulfonamide (PubChem CID 43790312) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
PubChem CID43790312
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
SMILESCCCCC(C)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-5-6-11(2)15-12-7-9-13(10-8-12)18(16,17)14-3/h7-11,14-15H,4-6H2,1-3H3
InChIKeyBHPLZYIWRQXIGZ-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-2-yl-4-(trifluoromethylsulfonyl)aniline
CID 63541039
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-butan-2-yl-N-hexan-2-ylaniline
CID 43780445
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide (CID 43790312) is 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide is CCCCC(C)Nc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide?
The InChIKey is BHPLZYIWRQXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-6-11(2)15-12-7-9-13(10-8-12)18(16,17)14-3/h7-11,14-15H,4-6H2,1-3H3.
What are the key properties of 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide?
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-2-ylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43790312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).