N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide

C19H23ClN2O2S — CID 169370719

IUPACN-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C)C3)c(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-14-5-8-17(9-6-14)25(23,24)21-16-7-10-19(18(20)12-16)22-11-3-4-15(2)13-22/h5-10,12,15,21H,3-4,11,13H2,1-2H3
InChIKeySHFJRKRJOMAFGK-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.69
Rot. Bonds4

About N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide

N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370719) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370719
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C)C3)c(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-14-5-8-17(9-6-14)25(23,24)21-16-7-10-19(18(20)12-16)22-11-3-4-15(2)13-22/h5-10,12,15,21H,3-4,11,13H2,1-2H3
InChIKeySHFJRKRJOMAFGK-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 24629185
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
5-[(4-methylphenyl)sulfonylamino]-2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzoic acid
CID 92887972
3-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292378
5-[(4-methylphenyl)sulfonylamino]-2-pyrrolidin-1-ylbenzoic acid
CID 169370562
N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169372186
1-chloro-3-[3-chloro-4-(3-methylpiperidin-1-yl)anilino]propan-2-ol
CID 168637559
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
N-[3-chloro-4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372116
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 169370719) is N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C)C3)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is SHFJRKRJOMAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-14-5-8-17(9-6-14)25(23,24)21-16-7-10-19(18(20)12-16)22-11-3-4-15(2)13-22/h5-10,12,15,21H,3-4,11,13H2,1-2H3.
What are the key properties of N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 378.93 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).