N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide

C19H24ClN3O2S — CID 142707558

IUPACN-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)cc1NC1CCN(C)CC1Cl
InChIInChI=1S/C19H24ClN3O2S/c1-14-8-9-15(22-26(24,25)16-6-4-3-5-7-16)12-19(14)21-18-10-11-23(2)13-17(18)20/h3-9,12,17-18,21-22H,10-11,13H2,1-2H3
InChIKeyUOMZVUHDYRVQOL-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.52
Rot. Bonds5

About N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide

N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide (PubChem CID 142707558) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide
PubChem CID142707558
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC NameN-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)cc1NC1CCN(C)CC1Cl
InChIInChI=1S/C19H24ClN3O2S/c1-14-8-9-15(22-26(24,25)16-6-4-3-5-7-16)12-19(14)21-18-10-11-23(2)13-17(18)20/h3-9,12,17-18,21-22H,10-11,13H2,1-2H3
InChIKeyUOMZVUHDYRVQOL-UHFFFAOYSA-N
XLogP3.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide
CID 142707586
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
CID 99972488
N-[2-[5-(benzenesulfonamido)-2-methylanilino]-2-oxoethyl]-methylboronamidic acid
CID 21364805
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
8-amino-N-[5-(benzenesulfonamido)-2-methylphenyl]dithionane-4-carboxamide
CID 21364809
N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
CID 11566896
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 86958237
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
1-N-(3-chloro-4-methylphenyl)-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 33394628
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide (CID 142707558) is N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2)cc1NC1CCN(C)CC1Cl.
What is the InChIKey of N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide?
The InChIKey is UOMZVUHDYRVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-14-8-9-15(22-26(24,25)16-6-4-3-5-7-16)12-19(14)21-18-10-11-23(2)13-17(18)20/h3-9,12,17-18,21-22H,10-11,13H2,1-2H3.
What are the key properties of N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide?
N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 142707558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).