N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide

C13H20N2O3S — CID 64910863

IUPACN-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
SMILESCC(O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(16)8-9-14-11-4-6-13(7-5-11)19(17,18)15-12-2-3-12/h4-7,10,12,14-16H,2-3,8-9H2,1H3
InChIKeyWLGUNLMGIKBMGL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.31
Rot. Bonds7

About N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide

N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide (PubChem CID 64910863) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
PubChem CID64910863
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
SMILESCC(O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(16)8-9-14-11-4-6-13(7-5-11)19(17,18)15-12-2-3-12/h4-7,10,12,14-16H,2-3,8-9H2,1H3
InChIKeyWLGUNLMGIKBMGL-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide
CID 106357515
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide (CID 64910863) is N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide is CC(O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide?
The InChIKey is WLGUNLMGIKBMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(16)8-9-14-11-4-6-13(7-5-11)19(17,18)15-12-2-3-12/h4-7,10,12,14-16H,2-3,8-9H2,1H3.
What are the key properties of N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide?
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide is sourced from PubChem (CID 64910863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).