6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide

C19H19BrN2O4S — CID 30759506

IUPAC6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
SMILESC[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C19H19BrN2O4S/c1-12(13-3-6-17(7-4-13)27(21,24)25)22(2)19(23)15-9-14-10-16(20)5-8-18(14)26-11-15/h3-10,12H,11H2,1-2H3,(H2,21,24,25)/t12-/m0/s1
InChIKeyYFRQMFFFNOQDNN-LBPRGKRZSA-N
MW451.34 g/mol
LogP3.09
Rot. Bonds4

About 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide

6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 30759506) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
PubChem CID30759506
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
SMILESC[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C19H19BrN2O4S/c1-12(13-3-6-17(7-4-13)27(21,24)25)22(2)19(23)15-9-14-10-16(20)5-8-18(14)26-11-15/h3-10,12H,11H2,1-2H3,(H2,21,24,25)/t12-/m0/s1
InChIKeyYFRQMFFFNOQDNN-LBPRGKRZSA-N
XLogP3.09
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(1-hydroxypropan-2-yl)-N-methyl-2H-chromene-3-carboxamide
CID 112548223
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 112813602
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635547
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide
CID 75181389
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51650990
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide (CID 30759506) is 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide is C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is YFRQMFFFNOQDNN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c1-12(13-3-6-17(7-4-13)27(21,24)25)22(2)19(23)15-9-14-10-16(20)5-8-18(14)26-11-15/h3-10,12H,11H2,1-2H3,(H2,21,24,25)/t12-/m0/s1.
What are the key properties of 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide?
6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 451.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 30759506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).