6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H17ClN2O4S — CID 55595952

IUPAC6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C17H17ClN2O4S/c1-25(22,23)20-15-5-3-2-4-14(15)19-17(21)12-8-11-9-13(18)6-7-16(11)24-10-12/h2-7,9,12,20H,8,10H2,1H3,(H,19,21)
InChIKeyIWVAYYQFPUMAKB-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.90
Rot. Bonds4

About 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55595952) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55595952
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C17H17ClN2O4S/c1-25(22,23)20-15-5-3-2-4-14(15)19-17(21)12-8-11-9-13(18)6-7-16(11)24-10-12/h2-7,9,12,20H,8,10H2,1H3,(H,19,21)
InChIKeyIWVAYYQFPUMAKB-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
6-chloro-N-[2-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119438781
6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42930090
6-chloro-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58118645
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
6-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55955116
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55595952) is 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CS(=O)(=O)Nc1ccccc1NC(=O)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is IWVAYYQFPUMAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-25(22,23)20-15-5-3-2-4-14(15)19-17(21)12-8-11-9-13(18)6-7-16(11)24-10-12/h2-7,9,12,20H,8,10H2,1H3,(H,19,21).
What are the key properties of 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 380.85 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55595952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).