N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

C17H16BrClN2O4S — CID 1101791

IUPACN-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16BrClN2O4S/c18-13-2-1-3-14(11-13)20-17(22)12-4-5-15(19)16(10-12)26(23,24)21-6-8-25-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyPRJTZWLPCZGBFI-UHFFFAOYSA-N
MW459.75 g/mol
LogP3.38
Rot. Bonds4

About N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1101791) has the molecular formula C17H16BrClN2O4S and a molecular weight of 459.75 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1101791
Molecular FormulaC17H16BrClN2O4S
Molecular Weight459.75 g/mol
Exact Mass457.97
IUPAC NameN-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16BrClN2O4S/c18-13-2-1-3-14(11-13)20-17(22)12-4-5-15(19)16(10-12)26(23,24)21-6-8-25-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyPRJTZWLPCZGBFI-UHFFFAOYSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
3-(Azepane-1-sulfonyl)-N-(4-bromophenyl)-4-chlorobenzamide
CID 1079094
N-(4-Bromophenyl)-4-methyl-3-(morpholine-4-sulfonyl)benzamide
CID 1119024
2,4-dichloro-N-(3-fluorophenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356130
2,4-dichloro-N-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2334818
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 25163735
N-(2-bromo-3,4,5-trifluorophenyl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
CID 132191125
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 132191135
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(4-morpholinylsulfonyl)benzamide
CID 1022002
2,4-dichloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1108158

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (CID 1101791) is N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PRJTZWLPCZGBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O4S/c18-13-2-1-3-14(11-13)20-17(22)12-4-5-15(19)16(10-12)26(23,24)21-6-8-25-9-7-21/h1-5,10-11H,6-9H2,(H,20,22).
What are the key properties of N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 459.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1101791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).