4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C20H24ClN3O3S — CID 27298071

IUPAC4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C20H24ClN3O3S/c1-23(17-7-3-2-4-8-17)14-11-22-20(25)16-9-10-18(21)19(15-16)28(26,27)24-12-5-6-13-24/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,22,25)
InChIKeyYEPIBINCRJINIX-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.99
Rot. Bonds7

About 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 27298071) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID27298071
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C20H24ClN3O3S/c1-23(17-7-3-2-4-8-17)14-11-22-20(25)16-9-10-18(21)19(15-16)28(26,27)24-12-5-6-13-24/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,22,25)
InChIKeyYEPIBINCRJINIX-UHFFFAOYSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(N-ethylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24550601
4-chloro-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25488088
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010
N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2543514
3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 30873246
4-chloro-N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55343714
2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-di(propan-2-yl)azanium
CID 8919180
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
4-chloro-N-[(2S)-2-hydroxy-2-phenylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7378013
4-chloro-N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875412
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 27298071) is 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is CN(CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YEPIBINCRJINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-23(17-7-3-2-4-8-17)14-11-22-20(25)16-9-10-18(21)19(15-16)28(26,27)24-12-5-6-13-24/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 421.95 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27298071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).