2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide

C12H16ClN3O3S — CID 60867729

IUPAC2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
SMILESCC(N)(C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1
InChIInChI=1S/C12H16ClN3O3S/c1-12(14,7-2-3-7)11(17)16-10-6-8(20(15,18)19)4-5-9(10)13/h4-7H,2-3,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyIUCDYPBDMNSJCV-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide

2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide (PubChem CID 60867729) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
PubChem CID60867729
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
SMILESCC(N)(C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1
InChIInChI=1S/C12H16ClN3O3S/c1-12(14,7-2-3-7)11(17)16-10-6-8(20(15,18)19)4-5-9(10)13/h4-7H,2-3,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyIUCDYPBDMNSJCV-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

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2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
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2-(azetidin-3-ylidene)-N-(2-chloro-5-sulfamoylphenyl)propanamide
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N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
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2-amino-2-cyclopropyl-N-(2,4-dimethylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide (CID 60867729) is 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide is CC(N)(C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1.
What is the InChIKey of 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide?
The InChIKey is IUCDYPBDMNSJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-12(14,7-2-3-7)11(17)16-10-6-8(20(15,18)19)4-5-9(10)13/h4-7H,2-3,14H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide?
2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide 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 2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 60867729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).