N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide

C18H22ClN3O2S — CID 67303116

IUPACN-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCN(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)C1CCNCC1
InChIInChI=1S/C18H22ClN3O2S/c1-22(15-9-11-20-12-10-15)18-13-14(7-8-17(18)19)21-25(23,24)16-5-3-2-4-6-16/h2-8,13,15,20-21H,9-12H2,1H3
InChIKeyIPPCZTDXRMNQOJ-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.33
Rot. Bonds5

About N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide

N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 67303116) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID67303116
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC NameN-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCN(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)C1CCNCC1
InChIInChI=1S/C18H22ClN3O2S/c1-22(15-9-11-20-12-10-15)18-13-14(7-8-17(18)19)21-25(23,24)16-5-3-2-4-6-16/h2-8,13,15,20-21H,9-12H2,1H3
InChIKeyIPPCZTDXRMNQOJ-UHFFFAOYSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 67303689
4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 67303827
N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide
CID 119931204
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
N-[3-(benzenesulfonyl)-4-(dimethylamino)phenyl]benzenesulfonamide
CID 122375489
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 154876069
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
3-amino-N-[3-chloro-4-(dimethylamino)phenyl]benzenesulfonamide
CID 61111543
N-methyl-N-naphthalen-1-ylpiperidin-4-amine
CID 57088493
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide (CID 67303116) is N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide is CN(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)C1CCNCC1.
What is the InChIKey of N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is IPPCZTDXRMNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-22(15-9-11-20-12-10-15)18-13-14(7-8-17(18)19)21-25(23,24)16-5-3-2-4-6-16/h2-8,13,15,20-21H,9-12H2,1H3.
What are the key properties of N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 67303116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).