3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide

C13H16ClN3O4S — CID 23501013

IUPAC3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide
SMILESNCC(=O)NS(=O)(=O)c1cc(C(=O)NCC2CC2)ccc1Cl
InChIInChI=1S/C13H16ClN3O4S/c14-10-4-3-9(13(19)16-7-8-1-2-8)5-11(10)22(20,21)17-12(18)6-15/h3-5,8H,1-2,6-7,15H2,(H,16,19)(H,17,18)
InChIKeyRRKCAQMMKXQPLQ-UHFFFAOYSA-N
MW345.81 g/mol
LogP0.24
Rot. Bonds6

About 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide

3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide (PubChem CID 23501013) has the molecular formula C13H16ClN3O4S and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide
PubChem CID23501013
Molecular FormulaC13H16ClN3O4S
Molecular Weight345.81 g/mol
Exact Mass345.06
IUPAC Name3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide
SMILESNCC(=O)NS(=O)(=O)c1cc(C(=O)NCC2CC2)ccc1Cl
InChIInChI=1S/C13H16ClN3O4S/c14-10-4-3-9(13(19)16-7-8-1-2-8)5-11(10)22(20,21)17-12(18)6-15/h3-5,8H,1-2,6-7,15H2,(H,16,19)(H,17,18)
InChIKeyRRKCAQMMKXQPLQ-UHFFFAOYSA-N
XLogP0.24
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55612530
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385
N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide
CID 54295056
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
3,4-dichloro-N-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111870132

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide (CID 23501013) is 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide is NCC(=O)NS(=O)(=O)c1cc(C(=O)NCC2CC2)ccc1Cl.
What is the InChIKey of 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide?
The InChIKey is RRKCAQMMKXQPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4S/c14-10-4-3-9(13(19)16-7-8-1-2-8)5-11(10)22(20,21)17-12(18)6-15/h3-5,8H,1-2,6-7,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide?
3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide has a molecular weight of 345.81 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 23501013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).