4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

C14H16ClN3O3S — CID 31136747

IUPAC4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16ClN3O3S/c1-9(10-3-5-12(6-4-10)22(16,20)21)17-14(19)13-7-11(15)8-18(13)2/h3-9H,1-2H3,(H,17,19)(H2,16,20,21)/t9-/m0/s1
InChIKeyHMLDXRJTCPKYNW-VIFPVBQESA-N
MW341.82 g/mol
LogP1.82
Rot. Bonds4

About 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 31136747) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID31136747
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16ClN3O3S/c1-9(10-3-5-12(6-4-10)22(16,20)21)17-14(19)13-7-11(15)8-18(13)2/h3-9H,1-2H3,(H,17,19)(H2,16,20,21)/t9-/m0/s1
InChIKeyHMLDXRJTCPKYNW-VIFPVBQESA-N
XLogP1.82
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698295
2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 78811687
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 51146589
1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
CID 166370858
4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 95134251
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (CID 31136747) is 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is C[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is HMLDXRJTCPKYNW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-9(10-3-5-12(6-4-10)22(16,20)21)17-14(19)13-7-11(15)8-18(13)2/h3-9H,1-2H3,(H,17,19)(H2,16,20,21)/t9-/m0/s1.
What are the key properties of 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 341.82 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 31136747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).