N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide

C16H26N2O2S — CID 63925494

IUPACN-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
SMILESCC(C)CCC(C)Nc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H26N2O2S/c1-12(2)8-9-13(3)17-15-6-4-5-7-16(15)21(19,20)18-14-10-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyHBKAHKCWSRGULY-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.36
Rot. Bonds8

About N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide

N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide (PubChem CID 63925494) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
PubChem CID63925494
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
SMILESCC(C)CCC(C)Nc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H26N2O2S/c1-12(2)8-9-13(3)17-15-6-4-5-7-16(15)21(19,20)18-14-10-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyHBKAHKCWSRGULY-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
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N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 62840863
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-(6-methylheptan-2-yl)-2-methylsulfonylaniline
CID 61472578
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
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CID 43454657

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide (CID 63925494) is N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide is CC(C)CCC(C)Nc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide?
The InChIKey is HBKAHKCWSRGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)8-9-13(3)17-15-6-4-5-7-16(15)21(19,20)18-14-10-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide?
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 63925494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).