4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide

C13H16ClN3O3S — CID 79209278

IUPAC4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C13H16ClN3O3S/c1-21(19,20)17-10-4-5-11(14)12(7-10)16-13(18)8-2-3-9(15)6-8/h2-5,7-9,17H,6,15H2,1H3,(H,16,18)
InChIKeyBZQYFVDIRIPDOM-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.55
Rot. Bonds4

About 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79209278) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide
PubChem CID79209278
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C13H16ClN3O3S/c1-21(19,20)17-10-4-5-11(14)12(7-10)16-13(18)8-2-3-9(15)6-8/h2-5,7-9,17H,6,15H2,1H3,(H,16,18)
InChIKeyBZQYFVDIRIPDOM-UHFFFAOYSA-N
XLogP1.55
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43706823
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 81118445
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464
(E)-4-[2-chloro-5-(methanesulfonamido)anilino]-4-oxobut-2-enoic acid
CID 60942059
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-chlorobenzoic acid
CID 79207584
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-6-chlorobenzoic acid
CID 79208298
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide (CID 79209278) is 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide is CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2C=CC(N)C2)c1.
What is the InChIKey of 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is BZQYFVDIRIPDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-21(19,20)17-10-4-5-11(14)12(7-10)16-13(18)8-2-3-9(15)6-8/h2-5,7-9,17H,6,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).