2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

C16H24ClN3O3S — CID 99969320

IUPAC2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-4-19(5-2)16(21)14-12-13(6-7-15(14)17)24(22,23)20-10-8-18(3)9-11-20/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyPTUCBPDXJWSRKV-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.76
Rot. Bonds5

About 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 99969320) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID99969320
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-4-19(5-2)16(21)14-12-13(6-7-15(14)17)24(22,23)20-10-8-18(3)9-11-20/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyPTUCBPDXJWSRKV-UHFFFAOYSA-N
XLogP1.76
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969454
2-chloro-N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethylbenzamide
CID 86939438
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 55343818
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969395
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55899477
2-chloro-N-cyclopropyl-N-(4-ethylcyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55593828
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 99969320) is 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is PTUCBPDXJWSRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-4-19(5-2)16(21)14-12-13(6-7-15(14)17)24(22,23)20-10-8-18(3)9-11-20/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 373.91 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 99969320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).