1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide

C12H16ClN3O3S — CID 115452464

IUPAC1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C12H16ClN3O3S/c1-20(18,19)16-8-2-3-9(13)10(6-8)15-11(17)12(7-14)4-5-12/h2-3,6,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyOLMLNESLFKEBHU-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.39
Rot. Bonds5

About 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452464) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
PubChem CID115452464
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C12H16ClN3O3S/c1-20(18,19)16-8-2-3-9(13)10(6-8)15-11(17)12(7-14)4-5-12/h2-3,6,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyOLMLNESLFKEBHU-UHFFFAOYSA-N
XLogP1.39
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
2-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]butanamide
CID 65225006
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
CID 115447750
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
CID 115453515
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
(E)-4-[2-chloro-5-(methanesulfonamido)anilino]-4-oxobut-2-enoic acid
CID 60942059
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide (CID 115452464) is 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide is CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2(CN)CC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OLMLNESLFKEBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-20(18,19)16-8-2-3-9(13)10(6-8)15-11(17)12(7-14)4-5-12/h2-3,6,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).