N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide

C13H20N2O3S — CID 65036251

IUPACN-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCC(CO)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C13H20N2O3S/c1-10(9-16)8-14-12-4-2-3-5-13(12)19(17,18)15-11-6-7-11/h2-5,10-11,14-16H,6-9H2,1H3
InChIKeyMBPAYHLAOJNEFM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.17
Rot. Bonds7

About N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide

N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide (PubChem CID 65036251) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
PubChem CID65036251
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCC(CO)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C13H20N2O3S/c1-10(9-16)8-14-12-4-2-3-5-13(12)19(17,18)15-11-6-7-11/h2-5,10-11,14-16H,6-9H2,1H3
InChIKeyMBPAYHLAOJNEFM-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
CID 106246055
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide (CID 65036251) is N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide is CC(CO)CNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The InChIKey is MBPAYHLAOJNEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(9-16)8-14-12-4-2-3-5-13(12)19(17,18)15-11-6-7-11/h2-5,10-11,14-16H,6-9H2,1H3.
What are the key properties of N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 65036251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).