4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide

C14H24N2O2S — CID 43454141

IUPAC4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCCC(C)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-6-12(4)15-13-7-9-14(10-8-13)19(17,18)16-11(2)3/h7-12,15-16H,5-6H2,1-4H3
InChIKeyFZDCYGMGHGYZBE-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.97
Rot. Bonds7

About 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide

4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 43454141) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID43454141
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCCC(C)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-6-12(4)15-13-7-9-14(10-8-13)19(17,18)16-11(2)3/h7-12,15-16H,5-6H2,1-4H3
InChIKeyFZDCYGMGHGYZBE-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 63732783
4-(hex-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 106231738
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
(2S)-2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219484

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide (CID 43454141) is 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide is CCCC(C)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is FZDCYGMGHGYZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-6-12(4)15-13-7-9-14(10-8-13)19(17,18)16-11(2)3/h7-12,15-16H,5-6H2,1-4H3.
What are the key properties of 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43454141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).