N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide

C16H17FN2O4S2 — CID 113094755

IUPACN-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N(C2CC2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S2/c1-24(20,21)18-13-4-6-14(7-5-13)19(15-8-9-15)25(22,23)16-10-2-12(17)3-11-16/h2-7,10-11,15,18H,8-9H2,1H3
InChIKeyAJQJBBQSRFUEJD-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.55
Rot. Bonds6

About N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide

N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide (PubChem CID 113094755) has the molecular formula C16H17FN2O4S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
PubChem CID113094755
Molecular FormulaC16H17FN2O4S2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC NameN-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N(C2CC2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S2/c1-24(20,21)18-13-4-6-14(7-5-13)19(15-8-9-15)25(22,23)16-10-2-12(17)3-11-16/h2-7,10-11,15,18H,8-9H2,1H3
InChIKeyAJQJBBQSRFUEJD-UHFFFAOYSA-N
XLogP2.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide (CID 113094755) is N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide is CS(=O)(=O)Nc1ccc(N(C2CC2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The InChIKey is AJQJBBQSRFUEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S2/c1-24(20,21)18-13-4-6-14(7-5-13)19(15-8-9-15)25(22,23)16-10-2-12(17)3-11-16/h2-7,10-11,15,18H,8-9H2,1H3.
What are the key properties of N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide has a molecular weight of 384.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide is sourced from PubChem (CID 113094755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).