N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide

C34H40N2O4S2 — CID 118986815

IUPACN-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
SMILESCCCCCN(c1ccc(-c2ccc(N(CCCCC)S(=O)(=O)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C34H40N2O4S2/c1-3-5-13-27-35(41(37,38)33-15-9-7-10-16-33)31-23-19-29(20-24-31)30-21-25-32(26-22-30)36(28-14-6-4-2)42(39,40)34-17-11-8-12-18-34/h7-12,15-26H,3-6,13-14,27-28H2,1-2H3
InChIKeyHDKOVLIJGKDYHF-UHFFFAOYSA-N
MW604.84 g/mol
LogP8.12
Rot. Bonds15

About N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide

N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide (PubChem CID 118986815) has the molecular formula C34H40N2O4S2 and a molecular weight of 604.84 g/mol. Its IUPAC name is N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
PubChem CID118986815
Molecular FormulaC34H40N2O4S2
Molecular Weight604.84 g/mol
Exact Mass604.24
IUPAC NameN-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
SMILESCCCCCN(c1ccc(-c2ccc(N(CCCCC)S(=O)(=O)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C34H40N2O4S2/c1-3-5-13-27-35(41(37,38)33-15-9-7-10-16-33)31-23-19-29(20-24-31)30-21-25-32(26-22-30)36(28-14-6-4-2)42(39,40)34-17-11-8-12-18-34/h7-12,15-26H,3-6,13-14,27-28H2,1-2H3
InChIKeyHDKOVLIJGKDYHF-UHFFFAOYSA-N
XLogP8.12
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.84
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
4-[N-(benzenesulfonyl)-4-ethylanilino]butanoic acid
CID 50892758
tert-butyl N-decyl-N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamate
CID 19757897
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide
CID 54316664
4-[N-(benzenesulfonyl)-4-iodoanilino]butanoic acid
CID 50891009
N-dodecyl-N-quinolin-8-ylbenzenesulfonamide
CID 54559164
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
1-hexylsulfonyl-4-phenylbenzene
CID 69120078
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
N,N-dipropylbenzenesulfonamide
CID 4053954
N-(2-bromoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 23104465
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide?
The IUPAC name of N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide (CID 118986815) is N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide.
What is the SMILES notation for N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide?
The canonical SMILES for N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide is CCCCCN(c1ccc(-c2ccc(N(CCCCC)S(=O)(=O)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide?
The InChIKey is HDKOVLIJGKDYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O4S2/c1-3-5-13-27-35(41(37,38)33-15-9-7-10-16-33)31-23-19-29(20-24-31)30-21-25-32(26-22-30)36(28-14-6-4-2)42(39,40)34-17-11-8-12-18-34/h7-12,15-26H,3-6,13-14,27-28H2,1-2H3.
What are the key properties of N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide?
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide has a molecular weight of 604.84 g/mol, XLogP of 8.12, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide is sourced from PubChem (CID 118986815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).