N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide

C32H35N3O3S — CID 22137393

IUPACN-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H35N3O3S/c36-31-19-15-28(16-20-31)26-35(39(37,38)32-11-5-2-6-12-32)30-17-13-27(14-18-30)8-7-21-33-22-24-34(25-23-33)29-9-3-1-4-10-29/h1-6,9-20,36H,7-8,21-26H2
InChIKeyWSFXRWZUZDTXTM-UHFFFAOYSA-N
MW541.72 g/mol
LogP5.54
Rot. Bonds10

About N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide

N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide (PubChem CID 22137393) has the molecular formula C32H35N3O3S and a molecular weight of 541.72 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide
PubChem CID22137393
Molecular FormulaC32H35N3O3S
Molecular Weight541.72 g/mol
Exact Mass541.24
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H35N3O3S/c36-31-19-15-28(16-20-31)26-35(39(37,38)32-11-5-2-6-12-32)30-17-13-27(14-18-30)8-7-21-33-22-24-34(25-23-33)29-9-3-1-4-10-29/h1-6,9-20,36H,7-8,21-26H2
InChIKeyWSFXRWZUZDTXTM-UHFFFAOYSA-N
XLogP5.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.72
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4-benzylpiperidin-1-yl)propyl]phenyl]-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 10460328
N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide
CID 90816070
N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 90656672
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 22137338
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624432
N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 10026885
N-[(3-chlorophenyl)methyl]-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46180829
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137368
3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
CID 90656670

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide (CID 22137393) is N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide?
The InChIKey is WSFXRWZUZDTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3S/c36-31-19-15-28(16-20-31)26-35(39(37,38)32-11-5-2-6-12-32)30-17-13-27(14-18-30)8-7-21-33-22-24-34(25-23-33)29-9-3-1-4-10-29/h1-6,9-20,36H,7-8,21-26H2.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide?
N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide has a molecular weight of 541.72 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 22137393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).