4-(pentan-2-ylamino)benzenesulfonamide

C11H18N2O2S — CID 43193552

IUPAC4-(pentan-2-ylamino)benzenesulfonamide
SMILESCCCC(C)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-3-4-9(2)13-10-5-7-11(8-6-10)16(12,14)15/h5-9,13H,3-4H2,1-2H3,(H2,12,14,15)
InChIKeyVZHNVDBAVZTHIX-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.93
Rot. Bonds5

About 4-(pentan-2-ylamino)benzenesulfonamide

4-(pentan-2-ylamino)benzenesulfonamide (PubChem CID 43193552) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(pentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(pentan-2-ylamino)benzenesulfonamide
PubChem CID43193552
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-(pentan-2-ylamino)benzenesulfonamide
SMILESCCCC(C)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-3-4-9(2)13-10-5-7-11(8-6-10)16(12,14)15/h5-9,13H,3-4H2,1-2H3,(H2,12,14,15)
InChIKeyVZHNVDBAVZTHIX-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
1-pentan-2-yl-3-(4-sulfamoylphenyl)thiourea
CID 19652353
3-bromo-4-(pentan-2-ylamino)benzenesulfonamide
CID 43745707
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide
CID 106357642
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
4-pentan-2-ylbenzenesulfonamide
CID 134449965
4-(pentan-2-ylamino)benzamide
CID 43193030
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61480429

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-(pentan-2-ylamino)benzenesulfonamide (CID 43193552) is 4-(pentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(pentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(pentan-2-ylamino)benzenesulfonamide is CCCC(C)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(pentan-2-ylamino)benzenesulfonamide?
The InChIKey is VZHNVDBAVZTHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-4-9(2)13-10-5-7-11(8-6-10)16(12,14)15/h5-9,13H,3-4H2,1-2H3,(H2,12,14,15).
What are the key properties of 4-(pentan-2-ylamino)benzenesulfonamide?
4-(pentan-2-ylamino)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43193552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).