N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide

C19H23ClN2O4S — CID 97095744

IUPACN-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide
SMILESCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C19H23ClN2O4S/c1-4-13(2)22-27(24,25)12-14-6-5-7-16(10-14)21-19(23)17-9-8-15(20)11-18(17)26-3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyRBXHGWYPUCBSET-ZDUSSCGKSA-N
MW410.92 g/mol
LogP3.82
Rot. Bonds8

About N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide

N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide (PubChem CID 97095744) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide
PubChem CID97095744
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide
SMILESCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C19H23ClN2O4S/c1-4-13(2)22-27(24,25)12-14-6-5-7-16(10-14)21-19(23)17-9-8-15(20)11-18(17)26-3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyRBXHGWYPUCBSET-ZDUSSCGKSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97101295
2-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056207
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide
CID 84592111
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
4-chloro-2-methoxy-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961557
4-chloro-2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 17362963
4-chloro-N-[4-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 64794839
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166189433
4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 78987937
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
4-bromo-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 78988027
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 82880967

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide?
The IUPAC name of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide (CID 97095744) is N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide is CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2OC)c1.
What is the InChIKey of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide?
The InChIKey is RBXHGWYPUCBSET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-4-13(2)22-27(24,25)12-14-6-5-7-16(10-14)21-19(23)17-9-8-15(20)11-18(17)26-3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide?
N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide has a molecular weight of 410.92 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 97095744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).