1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide

C12H16ClN3O3S — CID 115447750

IUPAC1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCC1
InChIInChI=1S/C12H16ClN3O3S/c13-9-3-2-8(20(15,18)19)6-10(9)16-11(17)12(7-14)4-1-5-12/h2-3,6H,1,4-5,7,14H2,(H,16,17)(H2,15,18,19)
InChIKeyBENRAYKALJRGOO-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.05
Rot. Bonds4

About 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide (PubChem CID 115447750) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
PubChem CID115447750
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCC1
InChIInChI=1S/C12H16ClN3O3S/c13-9-3-2-8(20(15,18)19)6-10(9)16-11(17)12(7-14)4-1-5-12/h2-3,6H,1,4-5,7,14H2,(H,16,17)(H2,15,18,19)
InChIKeyBENRAYKALJRGOO-UHFFFAOYSA-N
XLogP1.05
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
CID 115434825
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide (CID 115447750) is 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide?
The InChIKey is BENRAYKALJRGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-9-3-2-8(20(15,18)19)6-10(9)16-11(17)12(7-14)4-1-5-12/h2-3,6H,1,4-5,7,14H2,(H,16,17)(H2,15,18,19).
What are the key properties of 1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 1.05, 4 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-sulfamoylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115447750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).