4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide

C18H24N2O4S2 — CID 1213371

IUPAC4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-3-14-20(15-4-2)26(23,24)18-12-10-16(11-13-18)19-25(21,22)17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyYNMPDZXNAKSMSU-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.30
Rot. Bonds9

About 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide

4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide (PubChem CID 1213371) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
PubChem CID1213371
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-3-14-20(15-4-2)26(23,24)18-12-10-16(11-13-18)19-25(21,22)17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyYNMPDZXNAKSMSU-UHFFFAOYSA-N
XLogP3.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropylbenzenesulfonamide
CID 4053954
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide
CID 62158476
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
3-[benzenesulfonyl-[2-[benzenesulfonyl(2-carboxyethyl)amino]ethyl]amino]propanoic acid
CID 21496766
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide (CID 1213371) is 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide?
The InChIKey is YNMPDZXNAKSMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-3-14-20(15-4-2)26(23,24)18-12-10-16(11-13-18)19-25(21,22)17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3.
What are the key properties of 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide?
4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 1213371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).