N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide

C15H22N2O3S — CID 114757003

IUPACN-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCC2(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c18-10-9-15(7-8-15)11-16-12-3-5-14(6-4-12)21(19,20)17-13-1-2-13/h3-6,13,16-18H,1-2,7-11H2
InChIKeyGOFKDVNBLMNPKM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.70
Rot. Bonds8

About N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide

N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide (PubChem CID 114757003) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide
PubChem CID114757003
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCC2(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c18-10-9-15(7-8-15)11-16-12-3-5-14(6-4-12)21(19,20)17-13-1-2-13/h3-6,13,16-18H,1-2,7-11H2
InChIKeyGOFKDVNBLMNPKM-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 97253312
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
CID 115360724
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide
CID 166236638
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide (CID 114757003) is N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(NCC2(CCO)CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide?
The InChIKey is GOFKDVNBLMNPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-10-9-15(7-8-15)11-16-12-3-5-14(6-4-12)21(19,20)17-13-1-2-13/h3-6,13,16-18H,1-2,7-11H2.
What are the key properties of N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide?
N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 114757003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).