4-(dipropylsulfamoyl)benzoic acid;styrene

C21H27NO4S — CID 70464418

IUPAC4-(dipropylsulfamoyl)benzoic acid;styrene
SMILESC=Cc1ccccc1.CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H19NO4S.C8H8/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-2-8-6-4-3-5-7-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);2-7H,1H2
InChIKeyUMHGJBLTDZSKNR-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.53
Rot. Bonds8

About 4-(dipropylsulfamoyl)benzoic acid;styrene

4-(dipropylsulfamoyl)benzoic acid;styrene (PubChem CID 70464418) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)benzoic acid;styrene.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)benzoic acid;styrene
PubChem CID70464418
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name4-(dipropylsulfamoyl)benzoic acid;styrene
SMILESC=Cc1ccccc1.CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H19NO4S.C8H8/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-2-8-6-4-3-5-7-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);2-7H,1H2
InChIKeyUMHGJBLTDZSKNR-UHFFFAOYSA-N
XLogP4.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
acridine;4-(dipropylsulfamoyl)benzoic acid
CID 139187519
N,N-dipropylbenzenesulfonamide
CID 4053954
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
4-ethenylbenzoic acid;styrene
CID 22341601
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
2-[[4-[prop-2-enyl(propyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142963917
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
2-[[2-[4-(dipropylsulfamoyl)phenyl]-2-oxoethyl]amino]benzoic acid
CID 11316067
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)benzoic acid;styrene?
The IUPAC name of 4-(dipropylsulfamoyl)benzoic acid;styrene (CID 70464418) is 4-(dipropylsulfamoyl)benzoic acid;styrene.
What is the SMILES notation for 4-(dipropylsulfamoyl)benzoic acid;styrene?
The canonical SMILES for 4-(dipropylsulfamoyl)benzoic acid;styrene is C=Cc1ccccc1.CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)benzoic acid;styrene?
The InChIKey is UMHGJBLTDZSKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S.C8H8/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-2-8-6-4-3-5-7-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);2-7H,1H2.
What are the key properties of 4-(dipropylsulfamoyl)benzoic acid;styrene?
4-(dipropylsulfamoyl)benzoic acid;styrene has a molecular weight of 389.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)benzoic acid;styrene is sourced from PubChem (CID 70464418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).