3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide

C17H26ClN3O3S — CID 170563665

IUPAC3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCN2CC2)c1
InChIInChI=1S/C17H26ClN3O3S/c1-3-8-21(9-4-2)17(22)14-5-6-15(18)16(13-14)25(23,24)19-7-10-20-11-12-20/h5-6,13,19H,3-4,7-12H2,1-2H3
InChIKeyGEWRTHLYJLSWGW-UHFFFAOYSA-N
MW387.93 g/mol
LogP2.20
Rot. Bonds10

About 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide

3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide (PubChem CID 170563665) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide
PubChem CID170563665
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCN2CC2)c1
InChIInChI=1S/C17H26ClN3O3S/c1-3-8-21(9-4-2)17(22)14-5-6-15(18)16(13-14)25(23,24)19-7-10-20-11-12-20/h5-6,13,19H,3-4,7-12H2,1-2H3
InChIKeyGEWRTHLYJLSWGW-UHFFFAOYSA-N
XLogP2.20
TPSA69.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 19394
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N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
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1-[4-(4-Chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
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CID 2531912
4-chloro-3-(dimethylsulfamoyl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4840418
2-Chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 4845772
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-sulfamoylbenzamide
CID 57888938
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-chloro-benzamide
CID 130431446
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CID 2171497
3-chloro-N-{[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}benzene-1-sulfonamide
CID 984493

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide?
The IUPAC name of 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide (CID 170563665) is 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide?
The canonical SMILES for 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCN2CC2)c1.
What is the InChIKey of 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide?
The InChIKey is GEWRTHLYJLSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-3-8-21(9-4-2)17(22)14-5-6-15(18)16(13-14)25(23,24)19-7-10-20-11-12-20/h5-6,13,19H,3-4,7-12H2,1-2H3.
What are the key properties of 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide?
3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide has a molecular weight of 387.93 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-chloro-N,N-dipropylbenzamide is sourced from PubChem (CID 170563665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).