N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide

C21H30N2O5S2 — CID 2187490

IUPACN,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H30N2O5S2/c1-4-6-16-23(17-7-5-2)30(26,27)21-12-8-18(9-13-21)22-29(24,25)20-14-10-19(28-3)11-15-20/h8-15,22H,4-7,16-17H2,1-3H3
InChIKeyRAXXQNLLPFAKQO-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.09
Rot. Bonds12

About N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide

N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 2187490) has the molecular formula C21H30N2O5S2 and a molecular weight of 454.61 g/mol. Its IUPAC name is N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
PubChem CID2187490
Molecular FormulaC21H30N2O5S2
Molecular Weight454.61 g/mol
Exact Mass454.16
IUPAC NameN,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H30N2O5S2/c1-4-6-16-23(17-7-5-2)30(26,27)21-12-8-18(9-13-21)22-29(24,25)20-14-10-19(28-3)11-15-20/h8-15,22H,4-7,16-17H2,1-3H3
InChIKeyRAXXQNLLPFAKQO-UHFFFAOYSA-N
XLogP4.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6256436
4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
CID 1213371
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide
CID 54451158
1-(4-butylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678912
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
CID 1025614
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide (CID 2187490) is N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is RAXXQNLLPFAKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5S2/c1-4-6-16-23(17-7-5-2)30(26,27)21-12-8-18(9-13-21)22-29(24,25)20-14-10-19(28-3)11-15-20/h8-15,22H,4-7,16-17H2,1-3H3.
What are the key properties of N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide?
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 454.61 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 2187490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).