5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide

C14H18N2O4S3 — CID 70520887

IUPAC5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C14H18N2O4S3/c1-15(2)11-5-7-12(8-6-11)22(17,18)13-9-10-14(21-13)23(19,20)16(3)4/h5-10H,1-4H3
InChIKeyHHJKLVXBXMKICV-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.90
Rot. Bonds5

About 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide

5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 70520887) has the molecular formula C14H18N2O4S3 and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
PubChem CID70520887
Molecular FormulaC14H18N2O4S3
Molecular Weight374.51 g/mol
Exact Mass374.04
IUPAC Name5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C14H18N2O4S3/c1-15(2)11-5-7-12(8-6-11)22(17,18)13-9-10-14(21-13)23(19,20)16(3)4/h5-10H,1-4H3
InChIKeyHHJKLVXBXMKICV-UHFFFAOYSA-N
XLogP1.90
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide (CID 70520887) is 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide is CN(C)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)s2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is HHJKLVXBXMKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S3/c1-15(2)11-5-7-12(8-6-11)22(17,18)13-9-10-14(21-13)23(19,20)16(3)4/h5-10H,1-4H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 70520887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).