N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide

C13H20N2O3S — CID 83186685

IUPACN-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
SMILESCC(CCO)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(8-9-16)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
InChIKeyVCZYYQNJQQRHRO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.31
Rot. Bonds7

About N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide

N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide (PubChem CID 83186685) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
PubChem CID83186685
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
SMILESCC(CCO)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(8-9-16)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
InChIKeyVCZYYQNJQQRHRO-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

4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide
CID 106357515
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074
4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide
CID 137403957
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 114757003

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide (CID 83186685) is N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide is CC(CCO)Nc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The InChIKey is VCZYYQNJQQRHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(8-9-16)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-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)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-(4-hydroxybutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 83186685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).