N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide

C18H19ClN2O4S — CID 50847664

IUPACN-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-11-13(19)7-8-16(17)18(22)20-14-9-10-21(12-14)26(23,24)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12H2,1H3,(H,20,22)
InChIKeySHUGHMNLVICTLS-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide

N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide (PubChem CID 50847664) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
PubChem CID50847664
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-11-13(19)7-8-16(17)18(22)20-14-9-10-21(12-14)26(23,24)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12H2,1H3,(H,20,22)
InChIKeySHUGHMNLVICTLS-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 50822738
tert-butyl N-[(3S)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 129375288
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 15951685
N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide
CID 171692060
N-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-1-phenylsulfanylcyclopropane-1-carboxamide
CID 11697033
N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
CID 91836572
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide?
The IUPAC name of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide (CID 50847664) is N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide?
The InChIKey is SHUGHMNLVICTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-17-11-13(19)7-8-16(17)18(22)20-14-9-10-21(12-14)26(23,24)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide?
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide has a molecular weight of 394.88 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 50847664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).