6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide

C16H12ClN3O4S — CID 19289000

IUPAC6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H12ClN3O4S/c17-10-1-6-14-9(7-10)8-13(15(18)24-14)16(21)20-11-2-4-12(5-3-11)25(19,22)23/h1-8,18H,(H,20,21)(H2,19,22,23)/b18-15-
InChIKeyOUZBVQBTRUWWDZ-SDXDJHTJSA-N
MW377.81 g/mol
LogP2.47
Rot. Bonds3

About 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide

6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide (PubChem CID 19289000) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
PubChem CID19289000
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC Name6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H12ClN3O4S/c17-10-1-6-14-9(7-10)8-13(15(18)24-14)16(21)20-11-2-4-12(5-3-11)25(19,22)23/h1-8,18H,(H,20,21)(H2,19,22,23)/b18-15-
InChIKeyOUZBVQBTRUWWDZ-SDXDJHTJSA-N
XLogP2.47
TPSA126.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 1318003
6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
N-(4-acetylphenyl)-2-imino-6-nitrochromene-3-carboxamide
CID 19574015
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 17281895
6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
CID 17374434

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide (CID 19289000) is 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The InChIKey is OUZBVQBTRUWWDZ-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c17-10-1-6-14-9(7-10)8-13(15(18)24-14)16(21)20-11-2-4-12(5-3-11)25(19,22)23/h1-8,18H,(H,20,21)(H2,19,22,23)/b18-15-.
What are the key properties of 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 19289000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).